Saturday, April 28, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (6R,9R)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9R)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9R)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9R)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O4
MOLECULAR WEIGHT: 456.53292
SMILES: COC1=C(C=C(C=C1)[C@@H]2CC3=C([C@H](NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC)C(=O)C2)OC
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Product OPENEYE NAME: (6S,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O4
MOLECULAR WEIGHT: 456.53292
SMILES: COC1=C(C=C(C=C1)[C@H]2CC3=C([C@@H](NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC)C(=O)C2)OC
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Product OPENEYE NAME: (6R,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C28H28N2O4
MOLECULAR WEIGHT: 456.53292
SMILES: COC1=C(C=C(C=C1)[C@H]2CC3=C([C@H](NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC)C(=O)C2)OC
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Product OPENEYE NAME: (6S,9R)-9-(1,3-benzodioxol-5-yl)-6-(4-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C25H21N3O3
MOLECULAR WEIGHT: 411.45254
SMILES: C1[C@H](CC(=O)C2=C1NC3=CC=CC=C3N[C@H]2C4=CC=NC=C4)C5=CC6=C(C=C5)OCO6
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Product OPENEYE NAME: (6R,9R)-9-(1,3-benzodioxol-5-yl)-6-(4-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9R)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C25H21N3O3
MOLECULAR WEIGHT: 411.45254
SMILES: C1[C@H](CC(=O)C2=C1NC3=CC=CC=C3N[C@@H]2C4=CC=NC=C4)C5=CC6=C(C=C5)OCO6
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Product OPENEYE NAME: (6S,9S)-9-(1,3-benzodioxol-5-yl)-6-(4-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9S)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9S)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9S)-9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C25H21N3O3
MOLECULAR WEIGHT: 411.45254
SMILES: C1[C@@H](CC(=O)C2=C1NC3=CC=CC=C3N[C@H]2C4=CC=NC=C4)C5=CC6=C(C=C5)OCO6
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Product OPENEYE NAME: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(2-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
CAS Name: (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(2-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C24H23N3O4S
MOLECULAR WEIGHT: 449.52212
SMILES: CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=C(C=C2)C(=O)OC)C#N)SCC3=CC=CC=N3)C
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Product OPENEYE NAME: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
CAS Name: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c][1]benzopyran-5-one
IUPAC NAME: (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
SYSTEMATIC NAME: (4R)-2-azanyl-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
MOLECULAR FORMULA: C19H12N2O7
MOLECULAR WEIGHT: 380.30778
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H]3C4=C(C5=CC=CC=C5OC4=O)OC(=C3[N+](=O)[O-])N
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Product OPENEYE NAME: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
CAS Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c][1]benzopyran-5-one
IUPAC NAME: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
SYSTEMATIC NAME: (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-3-nitro-4H-pyrano[3,2-c]chromen-5-one
MOLECULAR FORMULA: C19H12N2O7
MOLECULAR WEIGHT: 380.30778
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H]3C4=C(C5=CC=CC=C5OC4=O)OC(=C3[N+](=O)[O-])N
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Product OPENEYE NAME: (8R,8aS)-6-amino-2-phenyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8R,8aS)-6-amino-2-phenyl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8R,8aS)-6-amino-2-phenyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8R,8aS)-6-azanyl-2-phenyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C23H18N6
MOLECULAR WEIGHT: 378.42922
SMILES: C1C=C2[C@@H](CN1C3=CC=CC=C3)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4
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Product OPENEYE NAME: (8S,8aS)-2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: (8S,8aS)-2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: (8S,8aS)-2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: (8S,8aS)-6-azanyl-2-ethanoyl-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C21H19N5O2
MOLECULAR WEIGHT: 373.40786
SMILES: CC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)OC
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